GSK-461364

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Synonyms
Status
Molecule Category Free-form
UNII 8QO27TK6Q4
EPA CompTox DTXSID60239197

Structure

InChI Key ZHJGWYRLJUCMRT-QGZVFWFLSA-N
Smiles C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F
InChI
InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H28F3N5O2S
Molecular Weight 543.62
AlogP 5.09
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 76.62
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 38.0

Pharmacology

Mechanism of Action Action Reference
Serine/threonine-protein kinase PLK1 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKN family
- - 620 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - 740 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - 190-350 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase NuaK subfamily
- - 23 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK2 family
- - 620 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PIM family
- - 250 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - 740 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - 190-350 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 990 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 470 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NEK family
- - 260 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family Other protein kinase PLK2
- - 500 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - 0.094-740 2.2-2.2 -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 69 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- - 410-690 - -
Enzyme Kinase
- - 410-690 2.2-2.2 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1-1 - 2.2-2.2 -

Cross References

Resources Reference
ChEBI 91333
ChEMBL CHEMBL1908394
FDA SRS 8QO27TK6Q4
Guide to Pharmacology 5684
PubChem 15983966
SureChEMBL SCHEMBL310080
ZINC ZINC000043154472
CONTENTS